tert-butyl 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylacetate CAS Name: 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridin-1-iumyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)pyridin-1-ium-2-yl]thio]acetic acid tert-butyl ester Formula: C17H16F3N2O2S2+ MolecularWeight: 401.44635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=C(C(=CC(=[NH+]1)C2=CC=CS2)C(F)(F)F)C#N

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=C(C(=CC(=[NH+]1)C2=CC=CS2)C(F)(F)F)C#N

InChI

InChI=1S/C17H15F3N2O2S2/c1-16(2,3)24-14(23)9-26-15-10(8-21)11(17(18,19)20)7-12(22-15)13-5-4-6-25-13/h4-7H,9H2,1-3H3/p+1